2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

C7H3N3S2 — CID 175790358

IUPAC2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(=S)[nH]c1S
InChIInChI=1S/C7H3N3S2/c8-2-4-1-5(3-9)7(12)10-6(4)11/h1H,(H2,10,11,12)
InChIKeyZNMIIMHWJFKEGP-UHFFFAOYSA-N
MW193.26 g/mol
LogP1.78
Rot. Bonds

About 2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (PubChem CID 175790358) has the molecular formula C7H3N3S2 and a molecular weight of 193.26 g/mol. Its IUPAC name is 2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
PubChem CID175790358
Molecular FormulaC7H3N3S2
Molecular Weight193.26 g/mol
Exact Mass192.98
IUPAC Name2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(=S)[nH]c1S
InChIInChI=1S/C7H3N3S2/c8-2-4-1-5(3-9)7(12)10-6(4)11/h1H,(H2,10,11,12)
InChIKeyZNMIIMHWJFKEGP-UHFFFAOYSA-N
XLogP1.78
TPSA63.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (CID 175790358) is 2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(=S)[nH]c1S.
What is the InChIKey of 2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is ZNMIIMHWJFKEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N3S2/c8-2-4-1-5(3-9)7(12)10-6(4)11/h1H,(H2,10,11,12).
What are the key properties of 2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 193.26 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 175790358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).